N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(2-methylpropyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide
Chemical Structure Depiction of
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(2-methylpropyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(2-methylpropyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide
Compound characteristics
| Compound ID: | C200-7931 |
| Compound Name: | N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(2-methylpropyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide |
| Molecular Weight: | 499.9 |
| Molecular Formula: | C20 H17 Cl F3 N5 O3 S |
| Smiles: | CC(C)CN1C2=NN(CC(Nc3ccc(cc3C(F)(F)F)[Cl])=O)C(N2c2ccsc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5713 |
| logD: | 4.5713 |
| logSw: | -4.6399 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.677 |
| InChI Key: | CVVKYCIRMAWQDC-UHFFFAOYSA-N |